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2',4',6'-trihydroxypropiophenone, monohydrate

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2',4',6'-trihydroxypropiophenone, monohydrate
SpectraBase Compound ID 6ZfQxabGznI
InChI InChI=1S/C9H10O4.H2O/c1-2-6(11)9-7(12)3-5(10)4-8(9)13;/h3-4,10,12-13H,2H2,1H3;1H2
InChIKey LCBJAFSVFFRJTB-UHFFFAOYSA-N
Mol Weight 200.19 g/mol
Molecular Formula C9H12O5
Exact Mass 200.068473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8UkSIxzyoZc
Name 2',4',6'-TRIHYDROXYPROPIOPHENONE, MONOHYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O4 H2O
InChI InChI=1S/C9H10O4.H2O/c1-2-6(11)9-7(12)3-5(10)4-8(9)13;/h3-4,10,12-13H,2H2,1H3;1H2
InChIKey LCBJAFSVFFRJTB-UHFFFAOYSA-N
Melting Point 172-174C
Molecular Weight 200.19
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PROPIOPHENONE, 2',4',6'-TRIHYDROXY-, MONOHYDRATE